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检索条件"机构=Laboratory of Computational Material Design and Quantum Engineering"
259 条 记 录,以下是1-10 订阅
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Fe single atom trigger asymmetric In-In polarized site pairs boosting near-infrared N2 photoreduction
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materials Today 2025年 86卷 96-103页
作者: Liang, Huimin Ye, Caichao Wu, Yao Li, Yezi Long, Ran Xiong, Jun Jiang, Wei Di, Jun School of Chemistry and Chemical Engineering National Special Superfine Powder Engineering Research Center Nanjing University of Science and Technology Nanjing210094 China Academy for Advanced Interdisciplinary Studies & Department of Materials Science and Engineering Guangdong Provincial Key Laboratory of Computational Science and Material Design Southern University of Science and Technology Shenzhen518055 China School of Materials Science & Engineering Nanyang Technological University Singapore639798 Singapore National Synchrotron Radiation Laboratory CAS Center for Excellence in Nanoscience School of Chemistry and Materials Science University of Science and Technology of China Hefei230026 China Institute for Energy Research Jiangsu University Zhenjiang212013 China
Building differentiated charge distributed polarized atomic pairs may be an alternative for N2 activation. In this work, CuInS2 atomic layers with asymmetric In-In polarized site pairs are prepared by doping Fe single... 详细信息
来源: 评论
Spline-Based Stochastic Collocation Methods for Uncertainty Quantification in Nonlinear Hyperbolic PDEs
Spline-Based Stochastic Collocation Methods for Uncertainty...
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European Conference on Numerical Mathematics and Advanced Applications, ENUMATH 2023
作者: Chertock, Alina Iskhakov, Arsen S. Janajra, Safa Kurganov, Alexander Department of Mathematics North Carolina State University RaleighNC United States Department of Mechanical and Nuclear Engineering Kansas State University ManhattanKS United States Department of Mathematics Shenzhen International Center for Mathematics and Guangdong Provincial Key Laboratory of Computational Science and Material Design Southern University of Science and Technology Shenzhen China
In this paper, we study the stochastic collocation (SC) methods for uncertainty quantification (UQ) in hyperbolic systems of nonlinear partial differential equations (PDEs). In these methods, the underlying PDEs are n... 详细信息
来源: 评论
designing Bimetallic Nanoparticle Catalysts via Tailored Surface Segregation
arXiv
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arXiv 2025年
作者: Tang, Yaxin Hou, Mingao He, Qian Luo, Guangfu Department of Materials Science and Engineering Southern University of Science and Technology Shenzhen518055 China Department of Material Science and Engineering College of Design and Engineering National University of Singapore 9 Engineering Drive 1 EA #03-09 Singapore117575 Singapore Guangdong Provincial Key Laboratory of Computational Science and Material Design Southern University of Science and Technology Shenzhen518055 China Institute of Innovative Materials Southern University of Science and Technology Shenzhen518055 China
Bimetallic nanoparticles serve as a vital class of catalysts with tunable properties suitable for diverse catalytic reactions, yet a comprehensive understanding of their structural evolution under operational conditio... 详细信息
来源: 评论
Functional Unit: A New Perspective on materials Science Research Paradigms
arXiv
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arXiv 2025年
作者: Ye, Caichao Feng, Tao Liu, Weishu Zhang, Wenqing Department of Materials Science and Engineering Institute of Innovative Materials Southern University of Science and Technology Shenzhen518055 China Academy for Advanced Interdisciplinary Studies Guangdong Provincial Key Laboratory of Computational Science and Material Design Southern University of Science and Technology Shenzhen518055 China
New materials have long marked the civilization level, serving as an impetus for technological progress and societal transformation. The classic structure-property correlations were key of materials science and engine... 详细信息
来源: 评论
Unique Temperature-Dependence of Polarization Switching Paths in Ferroelectric BaTiO3: A Molecular Dynamics Simulation Study
SSRN
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SSRN 2025年
作者: Azuma, Hikaru Ogawa, Tomohiro Ogata, Shuji Kobayashi, Ryo Uranagase, Masayuki Tsuzuki, Takahiro Wendler, Frank WW-8 Materials Simulation Germany Graduate School of Engineering Nagoya Institute of Technology Nagoya466-8555 Japan Laboratory for Computational Molecular Design RIKEN Center for Biosystems Dynamics Research Kobe650-0047 Japan Department of Material Science Friedrich-Alexander University of Erlangen-Nürnberg Fürth90762 Germany
Polarization switching in ferroelectrics under an external electric field is crucial for their application in memory devices and actuators. Experimental research has identified two distinct polarization switching proc... 详细信息
来源: 评论
Ferroelectric Switchable Altermagnetism
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Physical Review Letters 2025年 第10期134卷 106802-106802页
作者: Mingqiang Gu Yuntian Liu Haiyuan Zhu Kunihiro Yananose Xiaobing Chen Yongkang Hu Alessandro Stroppa Qihang Liu Department of Physics and Guangdong Basic Research Center of Excellence for Quantum Science Southern University of Science and Technology Shenzhen 518055 China Present address: State University of New York at Buffalo Buffalo NY USA. Korea Institute for Advanced Study Seoul 02455 Republic of Korea Quantum Science Center of Guangdong–Hong Kong–Macao Greater Bay Area (Guangdong) Shenzhen 518045 China CNR-SPIN Department of Physical and Chemical Sciences University of L’Aquila Via Vetoio 67100 L’Aquila Italy Guangdong Provincial Key Laboratory of Computational Science and Material Design Southern University of Science and Technology Shenzhen 518055 China
We propose a novel ferroelectric switchable altermagnetism effect: the reversal of ferroelectric polarization is coupled to the switching of altermagnetic spin splitting. We demonstrate the design principles for the f... 详细信息
来源: 评论
Hybrid classical-quantum communication networks
arXiv
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arXiv 2025年
作者: Lukens, Joseph M. Peters, Nicholas A. Qi, Bing Elmore Family School of Electrical and Computer Engineering Purdue Quantum Science and Engineering Institute West LafayetteIN47907 United States Quantum Information Science Section Computational Sciences and Engineering Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Research Technology Office and Quantum Collaborative Arizona State University TempeAZ85287 United States New York University Shanghai NYU-ECNU Institute of Physics NYU Shanghai 567 West Yangsi Road Shanghai200126 China State Key Laboratory of Precision Spectroscopy School of Physical and Material Sciences East China Normal University Shanghai200062 China
Over the past several decades, the proliferation of global classical communication networks has transformed various facets of human society. Concurrently, quantum networking has emerged as a dynamic field of research,... 详细信息
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Spontaneous Donor Defects and Voltage-Assisted Hole Doping in Beta-Gallium Oxides under Multiple Epitaxy Conditions
arXiv
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arXiv 2025年
作者: Nie, Chenxi Liu, Kai Ke, Chengxuan Jiang, Xisong He, Yifeng Deng, Yonghong Yan, Yanhua Luo, Guangfu Department of Materials Science and Engineering Southern University of Science and Technology Shenzhen518055 China Shenzhen CAPCHEM Technology Co. Ltd. Shabo Tongfuyu Industry Zone Pingshan District Shenzhen518118 China Guangdong Provincial Key Laboratory of Computational Science and Material Design Southern University of Science and Technology Shenzhen518055 China
Beta-phase gallium oxide (β-Ga2O3) is prone to the spontaneous formation of donor defects but poses a formidable challenge in achieving high-quality p-type doping, mainly due to its exceptionally low valence band max... 详细信息
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Tunable second harmonic in altermagnetic Josephson junctions
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Physical Review B 2025年 第16期111卷 165406-165406页
作者: Hai-Peng Sun Song-Bo Zhang Chang-An Li Björn Trauzettel Shenzhen Key Laboratory of Ultraintense Laser and Advanced Material Technology Center for Intense Laser Application Technology and College of Engineering Physics Shenzhen Technology University Shenzhen 518118 China Institute for Theoretical Physics and Astrophysics University of Würzburg 97074 Würzburg Germany Würzburg-Dresden Cluster of Excellence ct.qmat 97074 Würzburg Germany Hefei National Laboratory Hefei Anhui 230088 China International Center for Quantum Design of Functional Materials (ICQD) University of Science and Technology of China Hefei Anhui 230026 China
We study the influence of external electric and Zeeman fields on the Josephson effect in a planar superconductor/altermagnet/superconductor junction. Remarkably, we find that the current-phase relation (CPR) can be fo... 详细信息
来源: 评论
design of optimal dual-atom catalysts for electrocatalytic urea production: A combination of first-principles calculations and machine learning
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Nano Energy 2025年 141卷
作者: Zhu, Zhouhao Jing, Shaojie Wang, Zidong Wei, Haoran Wu, Feifeng Fan, Jing Zhou, Yingtang Yin, Hui Gan, Li-Yong Zhou, Xiaoyuan College of Physics and Center of Quantum Materials and Devices Chongqing University Chongqing401331 China National Engineering Research Center for Marine Aquaculture Marine Science and Technology College Zhejiang Ocean University Zhoushan316004 China Yunnan Precious Metal Laboratory Co. Ltd Kunming650100 China Center for Computational Science and Engineering Southern University of Science and Technology Shenzhen518055 China Chongqing Institute of New Energy Storage Material and Equipment Chongqing401120 China
Electrocatalytic urea production offers a sustainable alternative to the Haber-Bosch process, but its large-scale implementation is hindered by the lack of suitable catalysts with both high activity and selectivity. R... 详细信息
来源: 评论